4-Hydroxyhexanal

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  • Identifiers

    CAS number
    109710-36-3

    Molecular formula
    C6H12O2

    SMILES
    CCC(CCC=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 50.48%
    Green 39.88%
    Buttery 33.74%
    Oily 31.85%
    Pungent 31.74%
    Cheesy 31.59%
    Fatty 30.61%
    Mushroom 28.99%
    Fresh 28.91%
    Earthy 28.6%

     

    Flavor
    Pungent 45.1%
    Bitter 44.74%
    Green 43.52%
    Musty 36.26%
    Vegetable 34.98%
    Ethereal 34.57%
    Oily 32.53%
    Earthy 29.43%
    Alcohol 26.49%
    Fruity 26.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.9 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    212°C

    Flash point

    • 85.28 ˚C est.

  • Synonyms

    • 4-Hydroxyhexanal
    • 109710-36-3
    • DTXSID60911300
    • RefChem:912585
    • DTXCID101340337
    • 4-hydroxy-hexanal
    • 4-hydroxy caproaldehyde
    • Hexanal, 4-hydroxy-
    • SCHEMBL2457435
    • SCHEMBL10527531
    • SCHEMBL11629503
    • SCHEMBL27283690
    • CHEBI:179302
    • LMFA06000013
    • 109710-36-3

  • Applications

    4-Hydroxyhexanal (CAS 109710-36-3) is used primarily as an organic synthesis intermediate in fragrance and flavor chemistry, serving as a building block for hydroxyl-functional aroma compounds; it also functions as a precursor for specialty polymers and plastics due to its aldehyde and hydroxyl functionalities. It is employed as a reactive intermediate in coatings and inks, enabling surface modification and crosslinking. In cosmetics and personal care, it may be evaluated as a fragrance ingredient or synthesis intermediate, subject to local regulations and formulation limits. It is also considered for pharmaceutical-related synthesis as a general intermediate in chemical development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1033.4
    methanol 1606.85
    isopropanol 613.03
    water 17.48
    ethyl acetate 317.91
    n-propanol 608.01
    acetone 579.26
    n-butanol 580.87
    acetonitrile 353.16
    DMF 637.77
    toluene 30.79
    isobutanol 378.26
    1,4-dioxane 474.22
    methyl acetate 293.34
    THF 801.09
    2-butanone 318.99
    n-pentanol 292.87
    sec-butanol 394.41
    n-hexane 15.04
    ethylene glycol 303.02
    NMP 500.33
    cyclohexane 17.32
    DMSO 1036.96
    n-butyl acetate 291.42
    n-octanol 113.38
    chloroform 271.05
    n-propyl acetate 199.38
    acetic acid 860.33
    dichloromethane 352.8
    cyclohexanone 442.11
    propylene glycol 307.99
    isopropyl acetate 171.39
    DMAc 350.76
    2-ethoxyethanol 426.11
    isopentanol 397.28
    n-heptane 16.17
    ethyl formate 319.86
    1,2-dichloroethane 223.12
    n-hexanol 312.43
    2-methoxyethanol 927.77
    isobutyl acetate 122.92
    tetrachloromethane 60.46
    n-pentyl acetate 131.19
    transcutol 1119.89
    n-heptanol 112.7
    ethylbenzene 28.56
    MIBK 159.75
    2-propoxyethanol 477.7
    tert-butanol 583.97
    MTBE 227.39
    2-butoxyethanol 225.93
    propionic acid 475.0
    o-xylene 36.57
    formic acid 480.7
    diethyl ether 197.37
    m-xylene 34.13
    p-xylene 41.6
    chlorobenzene 89.71
    dimethyl carbonate 67.49
    n-octane 6.61
    formamide 452.35
    cyclopentanone 575.38
    2-pentanone 292.97
    anisole 103.72
    cyclopentyl methyl ether 228.23
    gamma-butyrolactone 705.44
    1-methoxy-2-propanol 522.82
    pyridine 244.02
    3-pentanone 128.04
    furfural 527.75
    n-dodecane 6.22
    diethylene glycol 448.52
    diisopropyl ether 50.44
    tert-amyl alcohol 363.86
    acetylacetone 298.74
    n-hexadecane 6.7
    acetophenone 116.77
    methyl propionate 189.07
    isopentyl acetate 231.81
    trichloroethylene 413.87
    n-nonanol 92.48
    cyclohexanol 269.7
    benzyl alcohol 129.69
    2-ethylhexanol 156.05
    isooctanol 91.37
    dipropyl ether 120.9
    1,2-dichlorobenzene 91.17
    ethyl lactate 107.72
    propylene carbonate 344.71
    n-methylformamide 498.49
    2-pentanol 256.23
    n-pentane 13.42
    1-propoxy-2-propanol 316.36
    1-methoxy-2-propyl acetate 227.14
    2-(2-methoxypropoxy) propanol 210.11
    mesitylene 28.18
    ε-caprolactone 385.52
    p-cymene 35.86
    epichlorohydrin 549.52
    1,1,1-trichloroethane 175.13
    2-aminoethanol 510.21
    morpholine-4-carbaldehyde 487.57
    sulfolane 713.99
    2,2,4-trimethylpentane 11.62
    2-methyltetrahydrofuran 516.87
    n-hexyl acetate 181.93
    isooctane 9.55
    2-(2-butoxyethoxy)ethanol 309.53
    sec-butyl acetate 121.4
    tert-butyl acetate 182.42
    decalin 12.0
    glycerin 382.0
    diglyme 539.12
    acrylic acid 372.74
    isopropyl myristate 65.84
    n-butyric acid 663.06
    acetyl acetate 182.29
    di(2-ethylhexyl) phthalate 73.94
    ethyl propionate 133.98
    nitromethane 862.0
    1,2-diethoxyethane 259.1
    benzonitrile 168.28
    trioctyl phosphate 61.12
    1-bromopropane 115.46
    gamma-valerolactone 651.98
    n-decanol 66.58
    triethyl phosphate 76.55
    4-methyl-2-pentanol 133.92
    propionitrile 262.15
    vinylene carbonate 275.67
    1,1,2-trichlorotrifluoroethane 389.35
    DMS 121.3
    cumene 28.98
    2-octanol 74.77
    2-hexanone 199.39
    octyl acetate 87.71
    limonene 61.46
    1,2-dimethoxyethane 491.44
    ethyl orthosilicate 74.65
    tributyl phosphate 80.33
    diacetone alcohol 278.27
    N,N-dimethylaniline 71.44
    acrylonitrile 322.98
    aniline 116.11
    1,3-propanediol 669.08
    bromobenzene 71.53
    dibromomethane 196.99
    1,1,2,2-tetrachloroethane 284.67
    2-methyl-cyclohexyl acetate 125.26
    tetrabutyl urea 94.41
    diisobutyl methanol 80.67
    2-phenylethanol 140.42
    styrene 36.62
    dioctyl adipate 109.71
    dimethyl sulfate 131.2
    ethyl butyrate 181.75
    methyl lactate 149.08
    butyl lactate 141.68
    diethyl carbonate 112.66
    propanediol butyl ether 245.99
    triethyl orthoformate 116.08
    p-tert-butyltoluene 34.65
    methyl 4-tert-butylbenzoate 121.84
    morpholine 610.72
    tert-butylamine 283.69
    n-dodecanol 48.8
    dimethoxymethane 256.78
    ethylene carbonate 239.57
    cyrene 169.78
    2-ethoxyethyl acetate 182.44
    2-ethylhexyl acetate 154.66
    1,2,4-trichlorobenzene 109.0
    4-methylpyridine 203.88
    dibutyl ether 105.46
    2,6-dimethyl-4-heptanol 80.67
    DEF 299.02
    dimethyl isosorbide 307.74
    tetrachloroethylene 228.53
    eugenol 142.68
    triacetin 171.67
    span 80 188.0
    1,4-butanediol 237.3
    1,1-dichloroethane 197.23
    2-methyl-1-pentanol 226.13
    methyl formate 321.17
    2-methyl-1-butanol 326.56
    n-decane 9.85
    butyronitrile 356.28
    3,7-dimethyl-1-octanol 113.83
    1-chlorooctane 45.69
    1-chlorotetradecane 18.71
    n-nonane 9.3
    undecane 7.53
    tert-butylcyclohexane 13.5
    cyclooctane 5.92
    cyclopentanol 396.2
    tetrahydropyran 413.91
    tert-amyl methyl ether 143.77
    2,5,8-trioxanonane 352.25
    1-hexene 65.43
    2-isopropoxyethanol 266.36
    2,2,2-trifluoroethanol 243.17
    methyl butyrate 233.33

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction